| CAS Number | 117027-64-2 |
| Catalog Number | AG01BFCF(AGN-PC-037ZS2) |
| Chemical Name | 6-(1H-1,2,3,4-tetrazol-1-yl)hexanoic acid |
| IUPAC Name | 6-(tetrazol-1-yl)hexanoic acid |
| InChI | InChI=1S/C7H12N4O2/c12-7(13)4-2-1-3-5-11-6-8-9-10-11/h6H,1-5H2,(H,12,13) |
| InChI Key | VOTHMCFDFNGEQF-UHFFFAOYSA-N |
| MDL Number | MFCD11868191 |
| Molecular Formula | C7H12N4O2 |
| Molecular Weight | 184.1958 |
| SMILES | OC(CCCCCN1N=NN=C1)=O |
| Synonyms | 6-(1H-tetrazol-1-yl)hexanoic acid,
117027-64-2,
6-(1H-1,2,3,4-tetrazol-1-yl)hexanoic acid,
SCHEMBL10637139,
BBL032039,
STK654564,
ZINC32500135,
AKOS005174931,
MCULE-6778396156,
6-(1,2,3,4-tetrazol-1-yl)hexanoic acid,
6-(1H-1,2,3,4-tetraazol-1-yl)hexanoic acid,
6-(tetrazol-1-yl)hexanoic acid,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.199g/mol |
| Monoisotopic Mass | 184.096g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number